%chk=000040226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040226

0 1
 O    2.927400       1.197400      4.9999999E-03
 O    4.602600     -0.8403000     -1.5799999E-02
 N   2.1700000E-02  0.9837000      5.0000002E-04
 C   -1.269000      0.5045000     -5.0000002E-04
 C   -1.189800     -0.8898000      1.4000000E-03
 C   0.9117000     -5.6600001E-02  3.1000001E-03
 C   0.1921000      -1.229400      3.8000001E-03
 C   -2.488100       1.191700     -3.0000000E-03
 C   0.3853000       2.385700     -8.9999998E-04
 C   -2.384300      -1.637000      5.0000002E-04
 C    2.335100      9.0899996E-02  4.3000001E-03
 C   -3.659700      0.4296000     -3.4000000E-03
 C   -3.611100     -0.9632000     -1.6000000E-03
 C    3.226100      -1.167100      6.6000000E-03
 H   0.5997000      -2.231600      5.5999998E-03
 H   -2.546800       2.274200     -4.4999998E-03
 H   0.9633000       2.595700      0.9029000    
 H   0.9665000       2.593100     -0.9032000    
 H  -0.5022000       3.019200     -3.4000000E-03
 H   -2.360800      -2.723000      1.8000000E-03
 H   -4.623600      0.9322000     -5.1000002E-03
 H   -4.535700      -1.534200     -2.0000001E-03
 H    3.006700      -1.759600     -0.8863000    
 H    3.021700      -1.761200      0.9023000    
 H    4.804000     -0.3753000      0.8142000    


%chk=000040226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040226

0 1
O 3.010869 1.147748 0.092109
O 4.641252 -0.933884 0.141061
N 0.044900 1.010143 0.031621
C -1.262020 0.520869 0.003803
C -1.205318 -0.925393 0.009053
C 0.933463 -0.093808 0.054843
C 0.177988 -1.287318 0.041015
C -2.498891 1.212734 -0.024939
C 0.422185 2.432872 0.036402
C -2.415307 -1.676774 -0.015602
C 2.385144 0.032217 0.085637
C -3.674520 0.442659 -0.048879
C -3.636861 -0.988704 -0.044361
C 3.232555 -1.255744 0.112899
H 0.585960 -2.296904 0.052848
H -2.553899 2.305795 -0.028528
H 0.995624 2.682897 0.943478
H 1.052347 2.673079 -0.834614
H -0.494171 3.042336 0.004379
H -2.387947 -2.771761 -0.012104
H -4.645462 0.949871 -0.071555
H -4.579451 -1.545951 -0.063713
H 3.001955 -1.862883 -0.786390
H 2.963513 -1.850968 1.009210
H 4.698892 0.066475 0.134627


